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» Sequence variation in ligand binding sites in proteins
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BMCBI
2010
154views more  BMCBI 2010»
13 years 7 months ago
Binary image representation of a ligand binding site: its application to efficient sampling of a conformational ensemble
Background: Modelling the ligand binding site of a protein is an important component of understanding proteinligand interactions and is being actively studied. Even if the side ch...
Edon Sung, Sangsoo Kim, Whanchul Shin
BMCBI
2005
116views more  BMCBI 2005»
13 years 7 months ago
SuperLigands - a database of ligand structures derived from the Protein Data Bank
Background: Currently, the PDB contains approximately 29,000 protein structures comprising over 70,000 experimentally determined three-dimensional structures of over 5,000 differe...
Elke Michalsky, Mathias Dunkel, Andrean Goede, Rob...
BMCBI
2008
114views more  BMCBI 2008»
13 years 7 months ago
Testing the Coulomb/Accessible Surface Area solvent model for protein stability, ligand binding, and protein design
Background: Protein structure prediction and computational protein design require efficient yet sufficiently accurate descriptions of aqueous solvent. We continue to evaluate the ...
Marcel Schmidt am Busch, Anne Lopes, Najette Amara...
BIBE
2010
IEEE
144views Bioinformatics» more  BIBE 2010»
13 years 8 months ago
Knowledge-Guided Docking of Flexible Ligands to SH2 Domain Proteins
Studies of interactions between protein domains and ligands are important in many aspects such as cellular signaling and regulation. In this work, we applied a three-stage knowledg...
Haiyun Lu, Shamima Banu Bte Sm Rashid, Hao Li, Wee...
PRIB
2009
Springer
120views Bioinformatics» more  PRIB 2009»
14 years 1 months ago
Knowledge-Guided Docking of WW Domain Proteins and Flexible Ligands
Studies of interactions between protein domains and ligands are important in many aspects such as cellular signaling. We present a knowledge-guided approach for docking protein dom...
Haiyun Lu, Hao Li, Shamima Banu Bte Sm Rashid, Wee...